CID 20528412

Isoquinoline-8-carbaldehyde

Structural Information

Molecular Formula
C10H7NO
SMILES
C1=CC2=C(C=NC=C2)C(=C1)C=O
InChI
InChI=1S/C10H7NO/c12-7-9-3-1-2-8-4-5-11-6-10(8)9/h1-7H
InChIKey
KPYBESJNSLIHRF-UHFFFAOYSA-N
Compound name
isoquinoline-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

157.05276 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06004 129.8
[M+Na]+ 180.04198 145.4
[M+NH4]+ 175.08658 139.6
[M+K]+ 196.01592 137.4
[M-H]- 156.04548 132.9
[M+Na-2H]- 178.02743 138.8
[M]+ 157.05221 133.0
[M]- 157.05331 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe